Code

Fix a few orbital window bugs#1897

Code

Merged

ghutchis merged 5 commits intoOpenChemistry:masterOpenChemistry/avogadrolibs:masterfrom ghutchis:fixup-mo-window-bugsghutchis/avogadrolibs:fixup-mo-window-bugsCopy head branch name to clipboardDec 28, 2024

+83-34

Commits

Commits on Dec 27, 2024

• Use occupations if known to determine homo / lumo

  Show description for 3f2bfcb
  ghutchis

  committed
  3f2bfcb

• Fixup some minor bugs always show status as % and avoid off-by-one bug

  Show description for ed0baf6
  ghutchis

  committed
  ed0baf6

Commits on Dec 28, 2024

• Add some sanity checks that a file has MO coefficients

  Show description for 2da9764
  ghutchis

  committed
  2da9764

• Re-enable dipole moment plugin

  Show description for e049174
  ghutchis

  committed
  e049174

• Fixup basis tests

  Show description for b969f81
  ghutchis

  committed
  b969f81